N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine

C14H14ClN5O — CID 18778312

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1
InChIInChI=1S/C14H14ClN5O/c1-2-20-18-14(17-19-20)16-9-10-7-8-13(21-10)11-5-3-4-6-12(11)15/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyARBAXEBNOGFVNJ-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.22
Rot. Bonds5

About N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine (PubChem CID 18778312) has the molecular formula C14H14ClN5O and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
PubChem CID18778312
Molecular FormulaC14H14ClN5O
Molecular Weight303.75 g/mol
Exact Mass303.09
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine
SMILESCCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1
InChIInChI=1S/C14H14ClN5O/c1-2-20-18-14(17-19-20)16-9-10-7-8-13(21-10)11-5-3-4-6-12(11)15/h3-8H,2,9H2,1H3,(H,16,18)
InChIKeyARBAXEBNOGFVNJ-UHFFFAOYSA-N
XLogP3.22
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-methylpropan-2-amine
CID 6471479
3-[5-(2-chlorophenyl)furan-2-yl]propan-1-amine
CID 170878490
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-1-prop-2-enyltetrazol-5-amine
CID 4727058
[5-(2-chlorophenyl)furan-2-yl]methanol
CID 4796268
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-3-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 119122334
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 6473076
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-methyltetrazol-5-amine
CID 4726884
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 6473098
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
N-[[5-(4-bromo-2-chlorophenyl)furan-2-yl]methyl]-1-propyltetrazol-5-amine
CID 17057733

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine (CID 18778312) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine is CCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
The InChIKey is ARBAXEBNOGFVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5O/c1-2-20-18-14(17-19-20)16-9-10-7-8-13(21-10)11-5-3-4-6-12(11)15/h3-8H,2,9H2,1H3,(H,16,18).
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine has a molecular weight of 303.75 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-ethyltetrazol-5-amine is sourced from PubChem (CID 18778312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).